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| CAS No.: | 81502-74-1 |
|---|---|
| Name: | 2-HYDROXY-1,3,5-BENZENETRICARBALDEHYDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H6O4 |
| Molecular Weight: | 178.144 |
| Synonyms: | 2,4,6-Triformylphenol;2-hydroxybenzene-1,3,5-tricarbaldehyde; |
| Density: | 1.449 g/cm3 |
| Melting Point: | 179 °C |
| Boiling Point: | 282.9 °C at 760 mmHg |
| Flash Point: | 139.1 °C |
| PSA: | 71.44000 |
| LogP: | 0.82970 |
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- Total:32 Page 1 of 1 1
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Specification
The 2-Hydroxy-1,3,5-benzenetricarbaldehyde, with the CAS registry number 81502-74-1, has the systematic name of 2-hydroxybenzene-1,3,5-tricarbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H6O4.
The characteristics of 2-Hydroxy-1,3,5-benzenetricarbaldehyde are as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.11; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.44 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 48.39 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 19.18×10-24cm3; (17)Surface Tension: 71.6 dyne/cm; (18)Density: 1.449 g/cm3; (19)Flash Point: 139.1 °C; (20)Enthalpy of Vaporization: 54.27 kJ/mol; (21)Boiling Point: 282.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00191 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(cc(C=O)c1O)C=O
(2)InChI: InChI=1/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H
(3)InChIKey: HKAZHQGKWVMFHP-UHFFFAOYAK